ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate

C11H22N4O5S — CID 104929323

IUPACethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C11H22N4O5S/c1-2-20-10(16)14-21(18,19)15-11(9(12)13-17)7-5-3-4-6-8-11/h15,17H,2-8H2,1H3,(H2,12,13)(H,14,16)
InChIKeyMCSVZZXLKTUULM-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.41
Rot. Bonds5

About ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate

ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate (PubChem CID 104929323) has the molecular formula C11H22N4O5S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
PubChem CID104929323
Molecular FormulaC11H22N4O5S
Molecular Weight322.39 g/mol
Exact Mass322.13
IUPAC Nameethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C11H22N4O5S/c1-2-20-10(16)14-21(18,19)15-11(9(12)13-17)7-5-3-4-6-8-11/h15,17H,2-8H2,1H3,(H2,12,13)(H,14,16)
InChIKeyMCSVZZXLKTUULM-UHFFFAOYSA-N
XLogP0.41
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77077380
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
3-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate (CID 104929323) is ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1.
What is the InChIKey of ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate?
The InChIKey is MCSVZZXLKTUULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5S/c1-2-20-10(16)14-21(18,19)15-11(9(12)13-17)7-5-3-4-6-8-11/h15,17H,2-8H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate?
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate has a molecular weight of 322.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate is sourced from PubChem (CID 104929323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).